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ENAMINE-ZINC05937536

 MMsINC code: MMs01646536
Type: Neutral
Formula: C19H32N4O4
SMILES:   O=C1N(CC(=O)NC(=O)NC2CCCCC2)C(=O)NC1(CCCCCC)C
InChI:   InChI=1/C19H32N4O4/c1-3-4-5-9-12-19(2)16(25)23(18(27)22-19)13-15(24)21-17(26)20-14-10-7-6-8-11-14/h14H,3-13H2,1-2H3,(H,22,27)(H2,20,21,24,26)/t19-/m1/s1

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Potential Energy
Epot(MMFF94)=3.89612 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.489 g/mol  logS: -4.8238  SlogP: 2.4258  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0256856  Sterimol/B1: 3.20779  Sterimol/B2: 3.9449  Sterimol/B3: 4.14118
  Sterimol/B4: 4.52646  Sterimol/L: 24.0135 
 
 Surface and Volume Properties
  Accessible surface: 706.999  Positive charged surface: 521.873  Negative charged surface: 185.126  Volume: 376.5
  Hydrophobic surface: 482.306  Hydrophilic surface: 224.693
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.